SCHEMBL946970

SCHEMBL946970

[CH](c1ccccc1)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
TLK2 Q86UE8 1/20 0.41
TAAR1 Q96RJ0 5/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADRA1A P35348 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CSF1R P07333 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL83476 0.82 KMT2A (0.49) MTORADKNISCHTLK2TAAR1
SCHEMBL83475 0.82 KMT2A (0.49) MTORADKNISCHTLK2TAAR1
SCHEMBL6404617 0.79 ALDH1A1 (0.43) MTORADKNISCHTLK2TAAR1
SCHEMBL952441 0.71 TAAR1 (0.50) MTORADKNISCHTLK2TAAR1
SCHEMBL18335693 0.69 CYP2A6 (0.49) TLK2NPC1RAB9AADRA2ACYP2D6
SCHEMBL6254275 0.68 TLK2 (0.43) MTORADKNISCHTLK2TAAR1
Styrene SCHEMBL2804062 0.68 NISCH (0.57) MTORADKNISCHTAAR1NPC1
SCHEMBL4529566 0.68 CSNK1A1 (0.54) TLK2ALDH1A1CSNK1A1TYRO3DYRK1B
SCHEMBL1845553 0.67 KDM4E (0.43) MTORADKNISCHTAAR1NPC1
SCHEMBL6100249 0.67 KDM4E (0.43) MTORADKNISCHTAAR1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP claimed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed
US-5266576-A Anticarcinogenic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-1812419-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA Nicholas Piramal India Limited (IN) 2007-08-01 EP disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2006051477-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 MTOR 1013/4885ADK 17/4885NISCH 3766/4885
US-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MTOR 207/4885ADK 1202/4885NISCH 1332/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 MTOR 207/4885ADK 1202/4885NISCH 1332/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.